r26263 - /trunk/test_suite/system_tests/relax_disp.py -- October 13, 2014 - 18:19

Author: tlinnet
Date: Mon Oct 13 18:19:38 2014
New Revision: 26263

URL: http://svn.gna.org/viewcvs/relax?rev=26263&view=rev
Log:
Narrowed in dx_map in systemtest 
Relax_disp.test_dx_map_clustered_create_par_file()

This is to illustrate the failure of relax finding the global minimum.

It seems there is a shallow barrier, which relax failed to climb over, in 
order to find the minimum value.

Modified:
    trunk/test_suite/system_tests/relax_disp.py

Modified: trunk/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=26263&r1=26262&r2=26263&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Mon Oct 13 18:19:38 2014
@@ -3204,9 +3204,7 @@
         self.assertAlmostEqual(pre_chi2, calc_chi2)
 
         # Define dx.map settings.
-        dx_inc = 2
-        dx_inc_sides = dx_inc / 2
-
+        dx_inc = 5
         dx_params = ['dw', 'k_AB', 'r2a']
         dx_point_clustered_min = [cur_spin.dw, cur_spin.k_AB, 
cur_spin.r2a['SQ CPMG - 499.86214000 MHz']]
 
@@ -3220,36 +3218,15 @@
         file_name_map = "%s_map%s" % (cur_model, cur_spin_id_str)
         file_name_point = "%s_point%s" % (cur_model, cur_spin_id_str)
 
-        # Step-size of parameter is 10 %
-        param_delta = 0.1
-
         # Determine bounds for lower and upper
-        #lower = [0.0, 0.0, 5.0]
-        #upper = [20.0, 6.0, 15.0]
-
-        lower = []
-        upper = []
-        for i, param_val in enumerate(dx_point_clustered_min):
-            param = dx_params[i]
-            step_val = param_delta * param_val
-            step_length = step_val * dx_inc_sides
-
-            # Calculate value
-            low_val = param_val - step_length
-            lower.append(low_val)
-
-            upp_val = param_val + step_length
-            upper.append(upp_val)
-
-            print("For param %s, lower=%3.3f, upper=%3.3f, step_value=%3.3f, 
steps=%i, centered at=%3.3f"% (param, low_val, upp_val, step_val, dx_inc, 
param_val))
+        lower = [dx_point_clustered_min[0], dx_point_clustered_min[1], 
dx_point_clustered_min[2]]
+        upper = [19.0, 2.4, 9.5]
 
         # Define temporary folder.
         result_dir = self.tmpdir
 
         # For testing.
         #result_dir = None
-        #lower = None
-        #upper = None
         #self.interpreter.relax_disp.cluster(cluster_id='free spins', 
spin_id=cur_spin_id)
 
         # Then do the map.